SCHEMBL173999

SCHEMBL173999

CC(C)(C)OC(=O)n1nc(C2CC2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ELANE P08246 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GPR119 Q8TDV5 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ SMARCA2 P51531 1/20 0.35
▸ SMARCA4 P51532 1/20 0.35
▸ PBRM1 Q86U86 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6783179 0.94 KDM4E (0.40) KDM4EMAPTTHRBELANEHTT
SCHEMBL6621580 0.94 NPC1 (0.42) KDM4EMAPTTHRBELANEHTT
SCHEMBL31517514 0.88 USP2 (0.37) KDM4EMAPTTHRBELANEHTT
SCHEMBL10255933 0.88 KDM4E (0.41) KDM4EMAPTTHRBHTTNR1H2
SCHEMBL31517346 0.85 KDM4E (0.35) KDM4EMAPTTHRBELANEHTT
SCHEMBL31517302 0.82 KCNJ6 (0.35) KDM4EMAPTTHRBELANENR1H2
SCHEMBL17045555 0.79 PIK3CA (0.42) KDM4EMAPTTHRBHTTGPR119
SCHEMBL4138174 0.79 NPC1 (0.40) CYP3A4GAACYP2C19NPC1LMNA
SCHEMBL174902 0.77 ALDH1A1 (0.43) KDM4EELANECYP3A4CYP2C19MEN1
SCHEMBL13896431 0.77 NPC1 (0.43) MAPTHTTGAAKMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025104236-A1 PYRAZOLE COMPOUNDS AS CULLIN RING UBIQUITIN LIGASE COMPOUNDS PROXYGEN GMBH (AT) 2025-05-22 — — WO disclosed
WO-2025040546-A1 PYRAZOLE COMPOUNDS AS CULLIN RING UBIQUITIN LIGASE COMPOUNDS PROXYGEN GMBH (AT) 2025-02-27 — — WO disclosed
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 — — US disclosed
WO-2024131937-A1 COMPOUND SERVING AS EIF4E INHIBITOR AND USE THEREOF 南京圣和药业股份有限公司 2024-06-27 — — WO disclosed
CN-118239963-A Compounds as eIF4E inhibitors and uses thereof 南京圣和药业股份有限公司 2024-06-25 — — CN disclosed
CN-112778311-B Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-06-04 — — CN disclosed
WO-2023203174-A1 HETEROCYCLIC CULLIN RING UBIQUITIN LIGASE COMPOUNDS AND USES THEREOF PROXYGEN GMBH (AT) 2023-10-26 — — WO disclosed
WO-2023203174-A1 HETEROCYCLIC CULLIN RING UBIQUITIN LIGASE COMPOUNDS AND USES THEREOF PROXYGEN GMBH (AT) 2023-10-26 — — WO disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 — — US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 — — US disclosed
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases ASTRAZENECA AB (SE) 2008-06-12 — — US disclosed
EP-1853602-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2007-11-14 — — EP disclosed
WO-2006087538-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-08-24 — — WO disclosed
US-20040116497-A1 Chromane derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2004-06-17 — — US disclosed
US-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2004-01-29 — — US disclosed
EP-1379524-A2 CHROMANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-01-14 — — EP disclosed
EP-1345909-A1 PHENYLACETAMIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-09-24 — — EP disclosed
US-6455559-B1 Phenylacetamido-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2002-09-24 — — US disclosed
WO-2002070515-A2 CHROMANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2002-09-12 — — WO disclosed
WO-2002048114-A1 PHENYLACETAMIDO- PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2002-06-20 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases CNKSR1, LTK, MUSK KDM4E 2477/4885MAPT 3902/4885THRB 167/4885
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 KDM4E 1352/4885MAPT 2050/4885THRB 1079/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 KDM4E 1352/4885MAPT 2050/4885THRB 1079/4885
US-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents DCK, CCNK, CDK2 KDM4E 2436/4885MAPT 2178/4885THRB 2956/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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